strange DOS shape about sumo

[utf]

Can you try using tetrahedron method instead of Methfessel-Paxton for the smearing (ISMEAR = -5). MP smearing is not recommended for insulators.

[giacsport]

Dear utf,
thanks!
Apparently ISMEAR=-5 and the KPOINTS generated with sumo-kgen are not compatible

scaLAPACK will be used selectively (only on CPU)
LDA part: xc-table for Pade appr. of Perdew

| |
| EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### |
| E R R R R O O R R ### ### ### |
| E R R R R O O R R ### ### ### |
| EEEEE RRRRRR RRRRRR O O RRRRRR # # # |
| E R R R R O O R R |
| E R R R R O O R R ### ### ### |
| EEEEEEE R R R R OOOOOOO R R ### ### ### |
| |
| Error reading KPOINTS file. |
| The error occurred at line: 40. |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |

I think it is matter of different IBZKPT.
By the way, my system is not an insulator (Gap~0)

Many thanks,
G

[utf]

Tetrahedron method is only for DOS calculations (not band structures). If your system is metallic you should use a large SIGMA. E.g., SIGMA = 0.2.

[giacsport]

Many thanks! That was the issue.
I was inadvertently using sigma values that were far too small for DOS calculations. With SiGMA 0.1-0.2, the behaviour becomes correct again. Thanks again.
G